0 mol 11 unq 0 iso 0 dist 9.53002 8.01262 16.7805 6.58046 3.56133 13.3327 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 9.53002 6.58046 3.56133 8.01262 16.7805 13.3327 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.75144 7.49157 6.72423 7.73794 4.0664 4.10458 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.75144 7.73794 4.0664 7.49157 6.72423 4.10458 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.73162 7.98005 8.62111 8.31381 9.18438 6.92384 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 6.73162 8.31381 9.18438 7.98005 8.62111 6.92384 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.09058 7.15542 5.59994 8.89047 7.78417 6.87266 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 8.09058 8.89047 7.78417 7.15542 5.59994 6.87266 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 8.09058 7.15542 5.59994 8.89003 5.47187 4.62605 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 8.09058 8.89003 5.47187 7.15542 5.59994 4.62605 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 8.09058 8.89047 7.78417 8.89003 5.47187 3.23184 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 8.09058 8.89003 5.47187 8.89047 7.78417 3.23184 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.40841 8.34191 3.8375 6.39747 6.11446 5.96988 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 6.40841 6.39747 6.11446 8.34191 3.8375 5.96988 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 7.87814 5.25027 9.64347 4.37025 4.39784 5.30569 numMergedOcc 0
15 mol 79 unq 0 iso 1 dist 7.87814 4.37025 4.39784 5.25027 9.64347 5.30569 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 8.66514 9.07128 3.99025 6.65615 6.69123 7.57886 numMergedOcc 0
17 mol 88 unq 0 iso 1 dist 8.66514 6.65615 6.69123 9.07128 3.99025 7.57886 numMergedOcc 0
18 mol 88 unq 1 iso 0 dist 9.25235 9.07128 6.08504 6.65615 3.77436 7.57886 numMergedOcc 0
19 mol 88 unq 1 iso 1 dist 9.25235 6.65615 3.77436 9.07128 6.08504 7.57886 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 7.20326 7.78789 6.69019 7.42146 4.18875 9.77711 numMergedOcc 0
21 mol 117 unq 0 iso 1 dist 7.20326 7.42146 4.18875 7.78789 6.69019 9.77711 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 9.92746 16.8777 10.4915 numMergedOcc 0
23 mol 127 unq 0 iso 1 dist 8.59981 9.92746 16.8777 5.39356 6.92548 10.4915 numMergedOcc 0
24 mol 127 unq 1 iso 0 dist 7.34519 5.39356 5.87751 9.92746 5.08112 10.4915 numMergedOcc 0
25 mol 127 unq 1 iso 1 dist 7.34519 9.92746 5.08112 5.39356 5.87751 10.4915 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 8.33261 6.73617 6.60281 9.03544 9.65163 3.6066 numMergedOcc 0
27 mol 147 unq 0 iso 1 dist 8.33261 9.03544 9.65163 6.73617 6.60281 3.6066 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 9.52936 9.84566 4.11581 8.22001 12.4034 10.045 numMergedOcc 0
29 mol 184 unq 0 iso 1 dist 9.52936 8.22001 12.4034 9.84566 4.11581 10.045 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.18041 6.1896 4.24855 6.09255 5.31276 6.94905 numMergedOcc 0
31 mol 218 unq 0 iso 1 dist 7.18041 6.09255 5.31276 6.1896 4.24855 6.94905 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 7.17547 6.1896 10.7049 6.09255 4.36581 6.94905 numMergedOcc 0
33 mol 218 unq 1 iso 1 dist 7.17547 6.09255 4.36581 6.1896 10.7049 6.94905 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 8.25897 11.0001 4.6865 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 8.37865 8.25897 11.0001 9.18798 10.5148 4.6865 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.41725 4.9764 13.6468 6.36559 13.3297 3.41319 numMergedOcc 0
37 mol 277 unq 0 iso 1 dist 9.41725 6.36559 13.3297 4.9764 13.6468 3.41319 numMergedOcc 0
